Preparation and Crystal Structures of Some A^IVB_𝟐^IIO_𝟒 Compounds: Powder X-Ray Diffraction and Rietveld Analysis

Table 3

Crystal and refinement data of Zn₂SnO₄.

Empirical formula: Zn2SnO4
Chemical formula: Zn60.53Sn36.12O138.74
Formula weight: 10463.77
Wavelength: 𝐾𝛼1 = 1.54060 Å; 𝐾𝛼2 = 1.5444 Å
Temperature: 300 K
Crystal system: cubic
Space group: Fd 3 m (227)	𝑍=1
𝑎=8.6604(2) Å	𝛼=𝛽=𝛾=90^∘
𝑉 = 649.56(5) Å^3
𝐷𝑥 = 26.75 g/cm^3
No. of reflections used = 90
2𝜃min=10.00^∘, 2𝜃max=140.00^∘
𝑅𝑝=0.03
𝑅𝑤𝑝 = 0.051
𝑅exp = 0.052
𝑅=0.034
Reduced 𝜒^2=0.959
𝑆=0.98
(Δ/𝜎)max = 0.01
No. of parameters = 21
Least squares matrix: full
No. of cycles = 197
Crystallite size = 253.39 nm
Strain = 0.626×10^−3